1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide

C10H20N2O2S — CID 167009320

IUPAC1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide
SMILESC=CCCN(C)S(=O)(=O)CC1CC(N)C1
InChIInChI=1S/C10H20N2O2S/c1-3-4-5-12(2)15(13,14)8-9-6-10(11)7-9/h3,9-10H,1,4-8,11H2,2H3
InChIKeyCTYRSSFICCRZPV-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.56
Rot. Bonds6

About 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide

1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide (PubChem CID 167009320) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide
PubChem CID167009320
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide
SMILESC=CCCN(C)S(=O)(=O)CC1CC(N)C1
InChIInChI=1S/C10H20N2O2S/c1-3-4-5-12(2)15(13,14)8-9-6-10(11)7-9/h3,9-10H,1,4-8,11H2,2H3
InChIKeyCTYRSSFICCRZPV-UHFFFAOYSA-N
XLogP0.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide?
The IUPAC name of 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide (CID 167009320) is 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide is C=CCCN(C)S(=O)(=O)CC1CC(N)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide?
The InChIKey is CTYRSSFICCRZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-4-5-12(2)15(13,14)8-9-6-10(11)7-9/h3,9-10H,1,4-8,11H2,2H3.
What are the key properties of 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide?
1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-N-but-3-enyl-N-methylmethanesulfonamide is sourced from PubChem (CID 167009320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).